Jäger, Marc ; Schäfer, Rolf ; Johnston, Roy L. (2022)
First principles global optimization of metal clusters and nanoalloys.
In: Advances in Physics: X: APX, 2018, 3 (1)
doi: 10.26083/tuprints-00012847
Article, Secondary publication, Publisher's Version
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| Item Type: | Article |
|---|---|
| Type of entry: | Secondary publication |
| Title: | First principles global optimization of metal clusters and nanoalloys |
| Language: | English |
| Date: | 2022 |
| Place of Publication: | Darmstadt |
| Year of primary publication: | 2018 |
| Publisher: | Taylor & Francis |
| Journal or Publication Title: | Advances in Physics: X: APX |
| Volume of the journal: | 3 |
| Issue Number: | 1 |
| DOI: | 10.26083/tuprints-00012847 |
| Corresponding Links: | |
| Origin: | Secondary publication |
| Abstract: | The global optimization of nanoparticles, such as pure or bimetallic metal clusters, has become a very important and sophisticated research field in modern nanoscience. The possibility of using more rigorous quantum chemical first principle methods during the global optimization has been facilitated by the development of more powerful computer hardware as well as more efficient algorithms. In this review, recent advances in first principle global optimization methods are described, with the main focus on genetic algorithms coupled with density functional theory for optimizing sub-nanometre metal clusters and nanoalloys. |
| Status: | Publisher's Version |
| URN: | urn:nbn:de:tuda-tuprints-128479 |
| Classification DDC: | 500 Science and mathematics > 530 Physics |
| Divisions: | 05 Department of Physics > Institute for condensed matter physics (2021 merged in Institute for Condensed Matter Physics) 07 Department of Chemistry > Eduard Zintl-Institut > Physical Chemistry |
| Date Deposited: | 01 Mar 2022 08:08 |
| Last Modified: | 27 Feb 2023 09:24 |
| URI: | https://tuprints.ulb.tu-darmstadt.de/id/eprint/12847 |
| PPN: | 505325225 |
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